N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide

C13H13BrN2O2 — CID 91687418

IUPACN-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Br)o2)c(N)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-5-8(2)12(9(15)6-7)16-13(17)10-3-4-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyAZYFQVNWTHBHCJ-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.49
Rot. Bonds2

About N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide

N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide (PubChem CID 91687418) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
PubChem CID91687418
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(Br)o2)c(N)c1
InChIInChI=1S/C13H13BrN2O2/c1-7-5-8(2)12(9(15)6-7)16-13(17)10-3-4-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyAZYFQVNWTHBHCJ-UHFFFAOYSA-N
XLogP3.49
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-bromo-6-methylphenyl)-5-bromofuran-2-carboxamide
CID 43550021
5-amino-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 82344274
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
N-[4-amino-6-oxo-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
CID 135705924
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(5-amino-3-methyl-2-pyridinyl)-5-bromofuran-2-carboxamide
CID 112555233
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
5-bromo-N-[(3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 3283056
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
N-(2-amino-4-bromo-6-methylphenyl)-1-benzofuran-2-carboxamide
CID 43549971

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide (CID 91687418) is N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(Br)o2)c(N)c1.
What is the InChIKey of N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide?
The InChIKey is AZYFQVNWTHBHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-7-5-8(2)12(9(15)6-7)16-13(17)10-3-4-11(14)18-10/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide?
N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dimethylphenyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 91687418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).